Supercomputer and Chemistry 2 (eBook, PDF)

debis Workshop 1990 Ottobrunn, November 19-20, 1990
Redaktion: Harms, Uwe

• Format: PDF

Produktbeschreibung

Ottobrunn, November 19-20, 1990

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Produktdetails

• Verlag: Springer Berlin Heidelberg
• Seitenzahl: 168
• Erscheinungstermin: 6. Dezember 2012
• Englisch
• ISBN-13: 9783642501753
• Artikelnr.: 53393837

Inhaltsangabe

SuperComputing - What is New.- Local Area Networks - A Survey.- Public Broadband Networks - Present State and Future Perspectives.- Fast Access to Supercomputer Applications.- High Speed Networking Solutions.- Computational Chemistry in Industry - A Parallel Direct SCF.- Quantum Chemical Investigations of Reactive Intermediates. Carbocations and Alkyl Radicals.- Long Time Dynamics of Proteins: An Off-Lattice Monte Carlo Method.- Quantum Mechanical Calculations of Small Molecules.- Parallel Processing and Computational Chemistry.- The Direct IGLO Method for the Calculation of NMR Chemical Shifts with the Program TURBOMOLE.- Computer Aided Protein Design: Three Dimensional Model Building of the Saruplase Structure.